Summary

IMPPAT Phytochemical identifier: IMPHY013258

Phytochemical name: 7-Hydroxy-5-methoxy-6,8-dimethylflavanone

Synonymous chemical names:
7-hydroxy-5-methoxy-6,8-dimethylflavanone

External chemical identifiers:
CID:15413154

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Chemical structure information

SMILES:
COc1c2C(=O)CC(Oc2c(c(c1C)O)C)c1ccccc1

InChI:
InChI=1S/C18H18O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-8,14,20H,9H2,1-3H3

InChIKey:
QKZDDOUPWXQRIK-UHFFFAOYSA-N

DeepSMILES:
COccC=O)CCOc6ccc%10C))O))C))))cccccc6

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.692

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Chemical structure download